N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide

C20H21N5O5S — CID 10238353

IUPACN-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCOC(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1
InChIInChI=1S/C20H21N5O5S/c26-19(24-27)16-10-21-20(22-11-16)25-7-8-30-17(13-25)12-23-31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-6,9-11,17,23,27H,7-8,12-13H2,(H,24,26)
InChIKeyHUUYSQLDLNOLEQ-UHFFFAOYSA-N
MW443.49 g/mol
LogP0.93
Rot. Bonds6

About N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 10238353) has the molecular formula C20H21N5O5S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
PubChem CID10238353
Molecular FormulaC20H21N5O5S
Molecular Weight443.49 g/mol
Exact Mass443.13
IUPAC NameN-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCOC(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1
InChIInChI=1S/C20H21N5O5S/c26-19(24-27)16-10-21-20(22-11-16)25-7-8-30-17(13-25)12-23-31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-6,9-11,17,23,27H,7-8,12-13H2,(H,24,26)
InChIKeyHUUYSQLDLNOLEQ-UHFFFAOYSA-N
XLogP0.93
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide (CID 10238353) is N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCOC(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.
What is the InChIKey of N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is HUUYSQLDLNOLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S/c26-19(24-27)16-10-21-20(22-11-16)25-7-8-30-17(13-25)12-23-31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-6,9-11,17,23,27H,7-8,12-13H2,(H,24,26).
What are the key properties of N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 10238353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).